methyl 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H17N5O4S2/c1-28-13-5-3-4-12(9-13)21-19-24-25-20(31-19)30-10-16-22-15-8-11(18(27)29-2)6-7-14(15)17(26)23-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23,26)